methyl 3-[(6-{[3-(acetyloxy)propyl]amino}-7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 3-[(6-{[3-(acetyloxy)propyl]amino}-7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoate
methyl 3-[(6-{[3-(acetyloxy)propyl]amino}-7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | K786-2884 |
| Compound Name: | methyl 3-[(6-{[3-(acetyloxy)propyl]amino}-7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]propanoate |
| Molecular Weight: | 398.39 |
| Molecular Formula: | C15 H18 N4 O7 S |
| Smiles: | CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.7683 |
| logD: | 2.7683 |
| logSw: | -3.2736 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.257 |
| InChI Key: | PPCXFUFKAQPTAL-UHFFFAOYSA-N |